N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CC2C(=O)NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C22H27N3O2S2/c1-15-8-10-25(11-9-15)17(19-7-4-12-28-19)14-23-21(26)13-20-22(27)24-16-5-2-3-6-18(16)29-20/h2-7,12,15,17,20H,8-11,13-14H2,1H3,(H,23,26)(H,24,27)/p+1/t17-,20-/m1/s1